CTK5C4036
TL;DR: CTK5C4036 (CAS 66287-68-1) is a chemical compound with molecular formula C21H31NO8 and molecular weight 425.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;1-(tert-butylamino)-3-[2-(1,3-dioxan-2-yl)phenoxy]propan-2-ol
Also Known As: 1-tert-Butylamino-3-(o-(1,3-dioxan-2-yl)phenoxy)-2-propanol maleate, 1-[2-(1,3-DIOXAN-2-YL)PHENOXY]-3-(TERT-BUTYLAMINO)PROPAN-2-OL MALEATE, 2-Propanol, 1-(tert-butylamino)-3-(2-(1,3-dioxan-2-yl)phenoxy)-, maleate
| Molecular Formula | C21H31NO8 |
|---|---|
| Molecular Weight | 425.20 g/mol |
| LogP | 1.9617 |
| Topological Polar Surface Area | 134.55 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 425.20496 |
| Heavy Atoms | 30 |
| Complexity | 676.49194 |
Chemical Identifiers
| CAS Number | 66287-68-1 |
|---|---|
| SMILES | CC(C)(C)NCC(COC1=CC=CC=C1C2OCCCO2)O.C(=CC(=O)O)C(=O)O |
Product Overview
CTK5C4036 (CAS 66287-68-1), with molecular formula C21H31NO8 and molecular weight 425.20 g/mol. IUPAC: but-2-enedioic acid;1-(tert-butylamino)-3-[2-(1,3-dioxan-2-yl)phenoxy]propan-2-ol.
Chemical Property Profile of CTK5C4036
Property Insights of CTK5C4036
The XLogP value of 1.9617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK5C4036. The TPSA of 134.55 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK5C4036. Following Lipinski's Rule of Five, CTK5C4036 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK5C4036?
The CAS number of CTK5C4036 is 66287-68-1.
What is the molecular formula of CTK5C4036?
The molecular formula of CTK5C4036 is C21H31NO8.
What is the molecular weight of CTK5C4036?
The molecular weight of CTK5C4036 is 425.20 g/mol.
Where can I buy CTK5C4036?
You can request a quote for CTK5C4036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5C4036?
Yes, KEHONG BIO provides custom synthesis services for CTK5C4036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.